Bug 1662149
| Summary: | Please, update quantum-espresso to version 6.3 | ||
|---|---|---|---|
| Product: | [Fedora] Fedora | Reporter: | Henrique C. S. Junior <henriquecsj> |
| Component: | quantum-espresso | Assignee: | marcindulak <Marcin.Dulak> |
| Status: | CLOSED ERRATA | QA Contact: | Fedora Extras Quality Assurance <extras-qa> |
| Severity: | low | Docs Contact: | |
| Priority: | unspecified | ||
| Version: | 29 | CC: | Marcin.Dulak |
| Target Milestone: | --- | ||
| Target Release: | --- | ||
| Hardware: | All | ||
| OS: | Linux | ||
| Whiteboard: | |||
| Fixed In Version: | quantum-espresso-6.4.1-1.fc29 | Doc Type: | If docs needed, set a value |
| Doc Text: | Story Points: | --- | |
| Clone Of: | Environment: | ||
| Last Closed: | 2019-06-05 02:01:17 UTC | Type: | Bug |
| Regression: | --- | Mount Type: | --- |
| Documentation: | --- | CRM: | |
| Verified Versions: | Category: | --- | |
| oVirt Team: | --- | RHEL 7.3 requirements from Atomic Host: | |
| Cloudforms Team: | --- | Target Upstream Version: | |
| Embargoed: | |||
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Description
Henrique C. S. Junior
2018-12-26 12:57:44 UTC
Hello, Marcin, we have now the 6.4 released. Looking at the 5.4 .spec file it seems that the packaging is very hard for this software... Can't a COPR repo make things less bureaucratic? There is not much bureaucracy - we would just need a new spec that works on all supported Fedora and EPEL versions and architectures. Testing all that is a several hours effort. It's probably better to invest time and prepare a Dockerfile that does just `apt-get install quantum-espresso` and rely on the DebiChem effort mentioned at https://www.quantum-espresso.org/download: cat <<EOF > Dockerfile FROM debian:sid-slim # Find the version with: apt-cache policy quantum-espresso RUN apt-get update&& apt-get install -y --no-install-recommends quantum-espresso=6.3-4 quantum-espresso-data && rm -rf /var/lib/apt/lists/* CMD ["/bin/bash"] EOF sudo dnf install -y docker sudo systemctl start docker sudo systemctl enable docker sudo docker build -t quantum-espresso:6.3-4 . sudo docker images mkdir storage wget https://raw.githubusercontent.com/QEF/q-e/master/test-suite/pw_dft/dft1.in -P storage/ sudo docker run -it -v $(pwd)/storage:/mnt --name quantum-espresso_6.3-4 quantum-espresso:6.3-4 mpiexec --allow-run-as-root -np 2 pw.x < /mnt/dft1.in > /mnt/dft1.out exit cat storage/dft1.out sudo docker rm quantum-espresso_6.3-4 quantum-espresso-6.4.1-1.fc29 has been submitted as an update to Fedora 29. https://bodhi.fedoraproject.org/updates/FEDORA-2019-935b810f68 quantum-espresso-6.4.1-1.fc29 has been pushed to the Fedora 29 testing repository. If problems still persist, please make note of it in this bug report. See https://fedoraproject.org/wiki/QA:Updates_Testing for instructions on how to install test updates. You can provide feedback for this update here: https://bodhi.fedoraproject.org/updates/FEDORA-2019-935b810f68 quantum-espresso-6.4.1-1.fc29 has been pushed to the Fedora 29 stable repository. If problems still persist, please make note of it in this bug report. |